methyl 4-[3,4-bis(fluoranyl)phenyl]-6-methyl-3-[2-[4-(4-methylphenyl)carbonylpiperidin-1-yl]ethylcarbamoyl]-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-[3,4-bis(fluoranyl)phenyl]-6-methyl-3-[2-[4-(4-methylphenyl)carbonylpiperidin-1-yl]ethylcarbamoyl]-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-(3,4-difluorophenyl)-6-methyl-3-[2-[4-(4-methylbenzoyl)-1-piperidyl]ethylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3,4-difluorophenyl)-6-methyl-3-[[2-[4-[(4-methylphenyl)-oxomethyl]-1-piperidinyl]ethylamino]-oxomethyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(3,4-difluorophenyl)-6-methyl-3-[2-[4-(4-methylbenzoyl)piperidin-1-yl]ethylcarbamoyl]-2-oxo-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(3,4-difluorophenyl)-2-keto-6-methyl-3-[2-(4-p-toluoylpiperidino)ethylcarbamoyl]-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C29H32F2N4O5 MolecularWeight: 554.584986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2CCN(CC2)CCNC(=O)N3C(C(=C(NC3=O)C)C(=O)OC)C4=CC(=C(C=C4)F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2CCN(CC2)CCNC(=O)N3C(C(=C(NC3=O)C)C(=O)OC)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C29H32F2N4O5/c1-17-4-6-19(7-5-17)26(36)20-10-13-34(14-11-20)15-12-32-28(38)35-25(21-8-9-22(30)23(31)16-21)24(27(37)40-3)18(2)33-29(35)39/h4-9,16,20,25H,10-15H2,1-3H3,(H,32,38)(H,33,39)